Harmine C-11
PubChem CID: 5462124
Connections displayed (default: 10).
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| Compound Synonyms | Harmine C-11, C06QCS6OX3, UNII-C06QCS6OX3, 171882-19-2, 9H-Pyrido(3,4-b)indole, 7-(methoxy-11C)-1-methyl-, [11C]Harmine, [11C]HAR, MOLI001537, 7-[Methoxy-11C]methyl-9H-[3,4-b]indole |
|---|---|
| Topological Polar Surface Area | 37.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-(111C)methoxy-1-methyl-9H-pyrido[3,4-b]indole |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C13H12N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BXNJHAXVSOCGBA-JVVVGQRLSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -2.777 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.765 |
| Compound Name | Harmine C-11 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 211.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.106 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 211.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.04121508832 |
| Inchi | InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3/i2-1 |
| Smiles | CC1=NC=CC2=C1NC3=C2C=CC(=C3)O[11CH3] |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elaeagnus Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ophiorrhiza Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Passiflora Edulis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Passiflora Incarnata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Symplocos Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Thalictrum Foetidum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Trema Dielsiana (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Tribulus Terrestris (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Uncaria Rhynchophylla (Plant) Rel Props:Source_db:cmaup_ingredients